Reaction Details Report a problem with these data
Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Ligand
BDBM50580353
Substrate
n/a
Meas. Tech.
ChEMBL_2148141 (CHEMBL5032487)
IC50
7.0±n/a nM
Citation
 Blass, BE Cyclic ADP Ribose Hydrolase (CD38) Inhibitors. ACS Med Chem Lett 13:13-14 (2022) [PubMed]  Article 
Target
Name:
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Synonyms:
CD38 | CD38_HUMAN | Lymphocyte differentiation antigen CD38
Type:
PROTEIN
Mol. Mass.:
34333.62
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1509931
Residue:
300
Sequence:
MANCEFSPVSGDKPCCRLSRRAQLCLGVSILVLILVVVLAVVVPRWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCNITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFNTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLNGSRSKIFDKNSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI
  
Inhibitor
Name:
BDBM50580353
Synonyms:
CHEMBL5076855
Type:
Small organic molecule
Emp. Form.:
C21H25N5O3S
Mol. Mass.:
427.52
SMILES:
COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc(n1)-n1ccnc1)-c1cncs1 |r,wU:8.11,wD:5.4,(79.63,-28.03,;78.29,-27.25,;76.96,-28.02,;75.62,-27.25,;74.29,-28.02,;72.96,-27.24,;72.96,-25.7,;71.63,-24.93,;70.3,-25.7,;70.3,-27.24,;71.63,-28.01,;68.96,-24.94,;67.63,-25.71,;67.63,-27.25,;66.29,-24.95,;64.98,-25.72,;63.64,-24.96,;63.63,-23.42,;64.97,-22.64,;66.29,-23.41,;64.96,-21.1,;63.71,-20.2,;64.18,-18.73,;65.72,-18.73,;66.19,-20.19,;62.31,-25.75,;62.16,-27.28,;60.65,-27.62,;59.87,-26.29,;60.9,-25.13,)|
Structure:
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